Content for NMR-STAR saveframe, "spectral_peak_list_7"
save_spectral_peak_list_7
_Spectral_peak_list.Sf_category spectral_peak_list
_Spectral_peak_list.Sf_framecode spectral_peak_list_7
_Spectral_peak_list.Entry_ID 30870
_Spectral_peak_list.ID 7
_Spectral_peak_list.Name .
_Spectral_peak_list.Sample_ID 1
_Spectral_peak_list.Sample_label $sample_1
_Spectral_peak_list.Sample_condition_list_ID 1
_Spectral_peak_list.Sample_condition_list_label $sample_conditions_1
_Spectral_peak_list.Chem_shift_reference_ID 1
_Spectral_peak_list.Chem_shift_reference_label $chem_shift_reference_1
_Spectral_peak_list.Experiment_ID 5
_Spectral_peak_list.Experiment_name '3D HNCACB'
_Spectral_peak_list.Experiment_class .
_Spectral_peak_list.Experiment_type .
_Spectral_peak_list.Number_of_spectral_dimensions 3
_Spectral_peak_list.Chemical_shift_list .
_Spectral_peak_list.Assigned_chem_shift_list_ID 1
_Spectral_peak_list.Assigned_chem_shift_list_label $assigned_chemical_shifts_1
_Spectral_peak_list.Details 'Cb intensities <0'
_Spectral_peak_list.Text_data_format text
_Spectral_peak_list.Text_data
;
label dataset sw sf
H1 H N15
20191119_JR21_ghc_co_nh_S.nv
2404.53930664 6595.65917969 1800.0
599.607971191 599.607971191 60.7649993896
H1.L H1.P H1.W H1.B H1.E H1.J H1.U H.L H.P H.W H.B H.E H.J H.U N15.L N15.P N15.W N15.B N15.E N15.J N15.U vol int stat comment flag0 flag8 flag9
0 {} 7.91022 0.03376 0.07809 ++ {0.0} {} {56.HA} 4.30870 0.11060 0.32178 ++ {0.0} {} {} 127.49085 0.71581 1.73254 ++ {0.0} {} 0.0 1.7841 0 {} 0 0 0
1 {} 7.91132 0.03374 0.10836 ++ {0.0} {} {56.HG2} 2.28756 0.17278 0.25340 ++ {0.0} {} {} 127.49216 0.71805 1.83555 ++ {0.0} {} 0.0 5.1753 0 {} 0 0 0
2 {} 8.36429 0.03931 0.04446 ++ {0.0} {} {} 3.19191 0.11512 0.13267 ++ {0.0} {} {} 124.15681 0.62737 0.72303 ++ {0.0} {} 0.0 0.1213 0 {} 0 0 0
3 {} 8.36609 0.03902 0.02025 ++ {0.0} {} {} 1.62922 0.08013 0.06712 ++ {0.0} {} {} 124.15487 0.65480 0.24931 ++ {0.0} {} 0.0 0.0635 0 {} 0 0 0
4 {} 8.73585 0.04354 0.00036 ++ {0.0} {} {} 3.19867 0.11088 0.00069 ++ {0.0} {} {} 123.78945 0.75607 0.00470 ++ {0.0} {} 0.0 0.0516 0 {} 0 0 0
5 {} 8.68193 0.05315 0.02907 ++ {0.0} {} {} 2.92191 0.11530 0.05546 ++ {0.0} {} {} 123.41769 0.89428 0.43064 ++ {0.0} {} 0.0 0.0677 0 {} 0 0 0
6 {} 8.42269 0.04399 0.11914 ++ {0.0} {} {13.HA} 4.26668 0.12486 0.29635 ++ {0.0} {} {} 122.99609 0.73673 1.61403 ++ {0.0} {} 0.0 0.5871 0 {} 0 0 0
7 {} 8.42028 0.03979 0.08360 ++ {0.0} {} {13.HG2} 1.69503 0.27059 0.38655 ++ {0.0} {} {} 122.98972 0.78267 1.50726 ++ {0.0} {} 0.0 0.3104 0 {} 0 0 0
8 {} 8.66566 0.06843 0.07180 ++ {0.0} {} {} 4.49311 0.11911 0.12378 ++ {0.0} {} {} 122.38763 0.71093 0.73879 ++ {0.0} {} 0.0 0.1070 0 {} 0 0 0
9 {} 7.95883 0.03979 0.04205 ++ {0.0} {} {16.HA} 4.16729 0.13256 0.14083 ++ {0.0} {} {} 122.47989 0.81262 0.86332 ++ {0.0} {} 0.0 0.1096 0 {} 0 0 0
10 {} 7.96142 0.04077 0.07991 ++ {0.0} {} {16.HD2} 3.22969 0.15542 0.29624 ++ {0.0} {} {} 122.46425 0.82524 1.51700 ++ {0.0} {} 0.0 0.3928 0 {} 0 0 0
11 {} 8.66822 0.07285 0.13073 ++ {0.0} {} {} 2.57271 0.12179 0.20181 ++ {0.0} {} {} 122.37194 0.66202 1.11298 ++ {0.0} {} 0.0 0.2515 0 {} 0 0 0
12 {} 7.96360 0.03824 0.04508 ++ {0.0} {} {16.HB2} 2.00115 0.06038 0.15756 ++ {0.0} {} {} 122.47180 0.83840 1.00754 ++ {0.0} {} 0.0 0.1263 0 {} 0 0 0
13 {} 7.96136 0.03697 0.04306 ++ {0.0} {} {16.HG2} 1.71169 0.10193 0.26197 ++ {0.0} {} {} 122.46923 0.85599 1.05347 ++ {0.0} {} 0.0 0.1299 0 {} 0 0 0
14 {} 8.28232 0.03232 0.10506 ++ {0.0} {} {55.HA} 4.26981 0.14587 0.32416 ++ {0.0} {} {} 121.95757 0.77937 1.74885 ++ {0.0} {} 0.0 1.2575 0 {} 0 0 0
15 {} 8.28462 0.03794 0.19248 ++ {0.0} {} {55.HB2} 2.28941 0.15418 0.32284 ++ {0.0} {} {} 121.95288 0.76319 1.84383 ++ {0.0} {} 0.0 2.8192 0 {} 0 0 0
16 {} 8.33751 0.04030 0.05282 ++ {0.0} {} {43.HB3} 3.21586 0.23307 0.29689 ++ {0.0} {} {} 121.49239 0.75658 1.01083 ++ {0.0} {} 0.0 0.1548 0 {} 0 0 0
17 {} 8.06581 0.04202 0.10274 ++ {0.0} {} {18.HG2} 2.38225 0.15809 0.30748 ++ {0.0} {} {} 121.36423 0.62799 1.44478 ++ {0.0} {} 0.0 0.5475 0 {} 0 0 0
18 {} 8.47558 0.04736 0.06766 ++ {0.0} {} {} 1.61561 0.16029 0.22500 ++ {0.0} {} {} 121.55605 1.06161 1.42918 ++ {0.0} {} 0.0 0.1549 0 {} 0 0 0
19 {} 8.47498 0.03996 0.04873 ++ {0.0} {} {} 0.89139 0.13127 0.15614 ++ {0.0} {} {} 121.61131 0.72753 0.86538 ++ {0.0} {} 0.0 0.1268 0 {} 0 0 0
20 {} 8.35138 0.03613 0.11272 ++ {0.0} {} {54.HA} 4.58917 0.12405 0.32361 ++ {0.0} {} {} 121.22064 0.66929 1.92213 ++ {0.0} {} 0.0 2.2594 0 {} 0 0 0
21 {} 8.51610 0.04725 0.10347 ++ {0.0} {} {4.HA} 4.34756 0.13639 0.28532 ++ {0.0} {} {} 121.21006 0.71988 1.41840 ++ {0.0} {} 0.0 0.3124 0 {} 0 0 0
22 {} 8.10972 0.04444 0.13408 ++ {0.0} {} {19.HA} 4.41558 0.12621 0.32685 ++ {0.0} {} {} 121.05532 0.81658 1.67650 ++ {0.0} {} 0.0 0.9215 0 {} 0 0 0
23 {} 8.39682 0.03923 0.13189 ++ {0.0} {} {} 4.20225 0.15046 0.21494 ++ {0.0} {} {} 121.01881 0.77484 1.86252 ++ {0.0} {} 0.0 1.1218 0 {} 0 0 0
24 {} 8.10786 0.05255 0.15453 ++ {0.0} {} {} 3.99031 0.13247 0.28648 ++ {0.0} {} {} 121.05013 0.86390 1.62127 ++ {0.0} {} 0.0 0.4144 0 {} 0 0 0
25 {} 8.48673 0.04035 0.07839 ++ {0.0} {} {12.HD2} 3.71842 0.12629 0.25765 ++ {0.0} {} {} 121.16142 0.72820 1.40674 ++ {0.0} {} 0.0 0.2943 0 {} 0 0 0
26 {} 8.34981 0.03741 0.11272 ++ {0.0} {} {54.HG2} 2.67307 0.14807 0.21152 ++ {0.0} {} {} 121.21906 0.66517 1.83286 ++ {0.0} {} 0.0 1.2650 0 {} 0 0 0
27 {} 8.39879 0.03952 0.28063 ++ {0.0} {} {35.HB2} 2.26151 0.13809 0.19727 ++ {0.0} {} {} 121.04472 0.88573 3.27771 ++ {0.0} {} 0.0 2.7503 0 {} 0 0 0
28 {} 8.21989 0.03911 0.19454 ++ {0.0} {} {24.HG2} 2.32339 0.12077 0.29729 ++ {0.0} {} {} 121.16559 0.72366 1.70283 ++ {0.0} {} 0.0 0.6861 0 {} 0 0 0
29 {} 8.51834 0.04075 0.11169 ++ {0.0} {} {4.HB2} 1.85526 0.17804 0.25434 ++ {0.0} {} {} 121.15128 0.74056 1.61399 ++ {0.0} {} 0.0 0.5598 0 {} 0 0 0
30 {} 8.26745 0.03605 0.09769 ++ {0.0} {} {5.HA} 4.60752 0.15639 0.32952 ++ {0.0} {} {} 120.75132 0.95840 2.46605 ++ {0.0} {} 0.0 2.6699 0 {} 0 0 0
31 {} 8.15491 0.03754 0.09478 ++ {0.0} {} {38.HA} 4.33450 0.13510 0.32266 ++ {0.0} {} {} 120.59963 0.86571 1.70975 ++ {0.0} {} 0.0 0.8656 0 {} 0 0 0
32 {} 7.75462 0.04006 0.04687 ++ {0.0} {} {46.HA} 4.18044 0.16411 0.20386 ++ {0.0} {} {} 120.75957 0.64359 0.78727 ++ {0.0} {} 0.0 0.1323 0 {} 0 0 0
33 {} 8.67791 0.04107 0.06787 ++ {0.0} {} {49.HA} 4.05917 0.12052 0.22555 ++ {0.0} {} {} 120.75374 0.64893 1.19191 ++ {0.0} {} 0.0 0.2967 0 {} 0 0 0
34 {} 8.48619 0.04043 0.06732 ++ {0.0} {} {12.HA} 4.41796 0.13872 0.19817 ++ {0.0} {} {} 120.61195 0.85235 1.39627 ++ {0.0} {} 0.0 0.2371 0 {} 0 0 0
35 {} 8.24584 0.05010 0.35240 ++ {0.0} {} {3.HA2} 3.98403 0.12196 0.33144 ++ {0.0} {} {} 120.63319 0.85467 1.78209 ++ {0.0} {} 0.0 2.1362 0 {} 0 0 0
36 {} 8.16197 0.03682 0.05260 ++ {0.0} {} {} 4.01768 0.18085 0.29493 ++ {0.0} {} {} 120.38976 0.86040 1.66210 ++ {0.0} {} 0.0 0.2355 0 {} 0 0 0
37 {} 8.52001 0.04236 0.10482 ++ {0.0} {} {4.HD2} 3.20507 0.11751 0.30867 ++ {0.0} {} {} 120.75123 0.65961 1.71160 ++ {0.0} {} 0.0 0.9407 0 {} 0 0 0
38 {} 8.07741 0.03947 0.07346 ++ {0.0} {} {19.HB2} 3.19387 0.12176 0.25456 ++ {0.0} {} {} 120.83274 0.64878 1.44558 ++ {0.0} {} 0.0 0.3711 0 {} 0 0 0
39 {} 7.75485 0.03903 0.06466 ++ {0.0} {} {46.HD2} 3.24384 0.15538 0.27892 ++ {0.0} {} {} 120.75748 0.63899 1.16487 ++ {0.0} {} 0.0 0.2997 0 {} 0 0 0
40 {} 8.48613 0.03775 0.06193 ++ {0.0} {} {12.HB2} 1.99592 0.07420 0.25658 ++ {0.0} {} {} 120.60559 0.83167 1.38256 ++ {0.0} {} 0.0 0.2466 0 {} 0 0 0
41 {} 8.20597 0.03695 0.09769 ++ {0.0} {} {7.HB2} 2.65334 0.14839 0.36699 ++ {0.0} {} {} 120.75168 0.68518 1.92820 ++ {0.0} {} 0.0 1.5098 0 {} 0 0 0
42 {} 8.15681 0.03725 0.11357 ++ {0.0} {} {38.HG2} 2.44283 0.17864 0.33482 ++ {0.0} {} {} 120.54142 0.73087 1.81397 ++ {0.0} {} 0.0 2.5203 0 {} 0 0 0
43 {} 8.67824 0.03792 0.08654 ++ {0.0} {} {49.HG2} 2.34945 0.14480 0.34117 ++ {0.0} {} {} 120.76463 0.64627 1.65126 ++ {0.0} {} 0.0 0.7586 0 {} 0 0 0
44 {} 7.75504 0.04144 0.04840 ++ {0.0} {} {46.HB2} 2.01304 0.06208 0.16785 ++ {0.0} {} {} 120.74232 0.66388 0.81596 ++ {0.0} {} 0.0 0.1333 0 {} 0 0 0
45 {} 7.75628 0.03858 0.05012 ++ {0.0} {} {46.HG2} 1.78768 0.06985 0.22651 ++ {0.0} {} {} 120.73729 0.70462 0.97230 ++ {0.0} {} 0.0 0.1658 0 {} 0 0 0
46 {} 8.51877 0.04185 0.08251 ++ {0.0} {} {4.HG2} 1.63335 0.06468 0.30651 ++ {0.0} {} {} 120.74612 0.66786 1.49387 ++ {0.0} {} 0.0 0.4438 0 {} 0 0 0
47 {} 8.20859 0.03732 0.10858 ++ {0.0} {} {7.HA} 4.58634 0.12697 0.32125 ++ {0.0} {} {} 120.06868 0.79043 1.87094 ++ {0.0} {} 0.0 2.5764 0 {} 0 0 0
48 {} 7.97199 0.03681 0.06976 ++ {0.0} {} {51.HA} 4.22906 0.11716 0.24152 ++ {0.0} {} {} 120.28955 0.66695 1.46323 ++ {0.0} {} 0.0 0.3850 0 {} 0 0 0
49 {} 8.39060 0.03488 0.04164 ++ {0.0} {} {} 3.51555 0.13528 0.17324 ++ {0.0} {} {} 120.31772 0.64222 0.82246 ++ {0.0} {} 0.0 0.1429 0 {} 0 0 0
50 {} 8.34993 0.04087 0.04840 ++ {0.0} {} {10.HG2} 2.36545 0.13053 0.16127 ++ {0.0} {} {} 120.36181 0.62079 0.76698 ++ {0.0} {} 0.0 0.1344 0 {} 0 0 0
51 {} 8.20597 0.03734 0.12652 ++ {0.0} {} {} 2.65578 0.14344 0.20491 ++ {0.0} {} {} 120.09296 0.80517 1.86313 ++ {0.0} {} 0.0 1.8277 0 {} 0 0 0
52 {} 7.97794 0.04471 0.08983 ++ {0.0} {} {51.HG2} 2.46130 0.12273 0.38572 ++ {0.0} {} {} 120.21560 0.94304 1.76301 ++ {0.0} {} 0.0 0.8151 0 {} 0 0 0
53 {} 8.34854 0.04341 0.13404 ++ {0.0} {} {10.HA} 4.21361 0.12231 0.32661 ++ {0.0} {} {} 119.83036 0.65550 1.57028 ++ {0.0} {} 0.0 0.5938 0 {} 0 0 0
54 {} 7.99749 0.04051 0.07459 ++ {0.0} {} {48.HA} 4.08889 0.16502 0.31454 ++ {0.0} {} {} 119.72902 0.80661 1.52486 ++ {0.0} {} 0.0 0.3643 0 {} 0 0 0
55 {} 7.88422 0.03690 0.04906 ++ {0.0} {} {23.HA} 3.80616 0.12312 0.16670 ++ {0.0} {} {} 119.51057 0.61639 0.83455 ++ {0.0} {} 0.0 0.1591 0 {} 0 0 0
56 {} 7.69667 0.03004 0.02824 ++ {0.0} {} {41.HA} 3.84631 0.15461 0.14536 ++ {0.0} {} {} 119.86015 0.59945 0.56362 ++ {0.0} {} 0.0 0.0970 0 {} 0 0 0
57 {} 8.30560 0.04557 0.06510 ++ {0.0} {} {} 2.36076 0.14286 0.31331 ++ {0.0} {} {} 119.61389 0.93887 1.82282 ++ {0.0} {} 0.0 0.4659 0 {} 0 0 0
58 {} 8.34994 0.04035 0.09362 ++ {0.0} {} {10.HB2} 2.23707 0.12927 0.30697 ++ {0.0} {} {} 119.83229 0.64766 1.80263 ++ {0.0} {} 0.0 1.6112 0 {} 0 0 0
59 {} 7.88489 0.03621 0.05142 ++ {0.0} {} {23.HB2} 1.97841 0.11765 0.33916 ++ {0.0} {} {} 119.49602 0.61507 0.92667 ++ {0.0} {} 0.0 0.2083 0 {} 0 0 0
60 {} 7.70274 0.04265 0.01676 ++ {0.0} {} {41.HB} 1.93158 0.15824 0.04682 ++ {0.0} {} {} 119.86552 0.60271 0.17834 ++ {0.0} {} 0.0 0.0603 0 {} 0 0 0
61 {} 7.69994 0.04013 0.04926 ++ {0.0} {} {41.HD11} 0.92413 0.17241 0.22419 ++ {0.0} {} {} 119.84293 0.60785 0.76574 ++ {0.0} {} 0.0 0.1389 0 {} 0 0 0
62 {} 8.17734 0.03565 0.07621 ++ {0.0} {} {6.HA} 4.61422 0.15545 0.32775 ++ {0.0} {} {} 119.44191 0.61738 1.78210 ++ {0.0} {} 0.0 2.1871 0 {} 0 0 0
63 {} 8.10032 0.03952 0.06570 ++ {0.0} {} {45.HA} 4.11009 0.14380 0.26521 ++ {0.0} {} {} 119.22581 0.98768 1.64706 ++ {0.0} {} 0.0 0.2671 0 {} 0 0 0
64 {} 8.27512 0.04198 0.06901 ++ {0.0} {} {34.HD2} 3.23643 0.17116 0.29169 ++ {0.0} {} {} 119.24297 0.83861 1.47720 ++ {0.0} {} 0.0 0.3284 0 {} 0 0 0
65 {} 7.85707 0.03972 0.06111 ++ {0.0} {} {26.HB2} 3.13621 0.15693 0.28462 ++ {0.0} {} {} 119.24365 0.83486 1.39180 ++ {0.0} {} 0.0 0.2550 0 {} 0 0 0
66 {} 8.10013 0.03707 0.05126 ++ {0.0} {} {45.HG2} 2.58717 0.10407 0.15593 ++ {0.0} {} {} 119.16476 0.69737 1.07761 ++ {0.0} {} 0.0 0.2049 0 {} 0 0 0
67 {} 8.10329 0.03956 0.06348 ++ {0.0} {} {45.HB2} 2.26215 0.11993 0.25959 ++ {0.0} {} {} 119.36021 0.83355 1.63967 ++ {0.0} {} 0.0 0.3343 0 {} 0 0 0
68 {} 8.27454 0.04033 0.04470 ++ {0.0} {} {34.HG2} 1.71058 0.12057 0.29016 ++ {0.0} {} {} 119.21682 0.84241 0.97441 ++ {0.0} {} 0.0 0.1211 0 {} 0 0 0
69 {} 8.32363 0.03387 0.05673 ++ {0.0} {} {50.HA} 4.51265 0.13872 0.28591 ++ {0.0} {} {} 118.93405 0.60283 1.09532 ++ {0.0} {} 0.0 0.3669 0 {} 0 0 0
70 {} 7.86393 0.03724 0.04677 ++ {0.0} {} {47.HA} 4.41740 0.13575 0.17606 ++ {0.0} {} {} 118.76327 1.35603 1.60719 ++ {0.0} {} 0.0 0.1462 0 {} 0 0 0
71 {} 8.41775 0.03572 0.03064 ++ {0.0} {} {22.HA} 4.31980 0.13901 0.11287 ++ {0.0} {} {} 118.78266 0.89027 0.72155 ++ {0.0} {} 0.0 0.0865 0 {} 0 0 0
72 {} 8.41546 0.03829 0.05258 ++ {0.0} {} {22.HB3} 3.40032 0.07870 0.24129 ++ {0.0} {} {} 118.78905 0.77772 1.08075 ++ {0.0} {} 0.0 0.1646 0 {} 0 0 0
73 {} 8.41479 0.03681 0.04821 ++ {0.0} {} {22.HB2} 3.18105 0.05660 0.16843 ++ {0.0} {} {} 118.78679 0.81992 1.12880 ++ {0.0} {} 0.0 0.1588 0 {} 0 0 0
74 {} 8.32524 0.03762 0.05501 ++ {0.0} {} {50.HB2} 2.85701 0.05459 0.18086 ++ {0.0} {} {} 118.93857 0.60267 0.90759 ++ {0.0} {} 0.0 0.2080 0 {} 0 0 0
75 {} 8.32309 0.03131 0.04784 ++ {0.0} {} {50.HB3} 2.63865 0.18527 0.26467 ++ {0.0} {} {} 118.97502 0.58363 0.90301 ++ {0.0} {} 0.0 0.2270 0 {} 0 0 0
76 {} 8.04849 0.04176 0.05436 ++ {0.0} {} {37.HA} 4.11673 0.13013 0.17509 ++ {0.0} {} {} 118.10928 0.53304 0.71723 ++ {0.0} {} 0.0 0.1571 0 {} 0 0 0
77 {} 8.19016 0.05223 0.12305 ++ {0.0} {} {30.HA2} 3.90925 0.14237 0.31573 ++ {0.0} {} {} 118.28611 0.81148 1.59995 ++ {0.0} {} 0.0 0.6500 0 {} 0 0 0
78 {} 8.15821 0.03623 0.05163 ++ {0.0} {} {20.HD2} 3.25706 0.13367 0.21240 ++ {0.0} {} {} 118.38176 0.94759 1.46190 ++ {0.0} {} 0.0 0.2020 0 {} 0 0 0
79 {} 8.04957 0.03842 0.05833 ++ {0.0} {} {37.HB2} 2.50853 0.09937 0.32571 ++ {0.0} {} {} 118.09296 0.55080 0.89052 ++ {0.0} {} 0.0 0.2682 0 {} 0 0 0
80 {} 8.15687 0.03961 0.04212 ++ {0.0} {} {20.HB2} 1.98412 0.23326 0.25799 ++ {0.0} {} {} 118.34315 0.77773 0.85964 ++ {0.0} {} 0.0 0.1149 0 {} 0 0 0
81 {} 7.86673 0.03233 0.03911 ++ {0.0} {} {47.HB2} 1.49736 0.20078 0.32484 ++ {0.0} {} {} 118.49117 0.57840 0.73418 ++ {0.0} {} 0.0 0.1407 0 {} 0 0 0
82 {} 7.86872 0.03977 0.04707 ++ {0.0} {} {47.HD21} 0.72703 0.12894 0.15561 ++ {0.0} {} {} 118.46822 0.62126 0.74978 ++ {0.0} {} 0.0 0.1296 0 {} 0 0 0
83 {} 7.87013 0.03936 0.04846 ++ {0.0} {} {47.HD11} 0.38509 0.13106 0.17015 ++ {0.0} {} {} 118.43384 0.66338 0.86119 ++ {0.0} {} 0.0 0.1465 0 {} 0 0 0
84 {} 8.51722 0.03805 0.05505 ++ {0.0} {} {15.HA} 4.35959 0.15675 0.24231 ++ {0.0} {} {} 117.80578 0.81258 1.28369 ++ {0.0} {} 0.0 0.1809 0 {} 0 0 0
85 {} 7.66821 0.03980 0.04043 ++ {0.0} {} {28.HA} 4.24900 0.14323 0.14610 ++ {0.0} {} {} 117.91052 0.72189 0.73632 ++ {0.0} {} 0.0 0.1049 0 {} 0 0 0
86 {} 7.62601 0.03431 0.03327 ++ {0.0} {} {27.HA} 4.10339 0.15650 0.14973 ++ {0.0} {} {} 117.79797 0.78263 0.74875 ++ {0.0} {} 0.0 0.0985 0 {} 0 0 0
87 {} 8.51477 0.03285 0.02957 ++ {0.0} {} {15.HD2} 3.95183 0.17726 0.15679 ++ {0.0} {} {} 117.84563 0.88293 0.78094 ++ {0.0} {} 0.0 0.0921 0 {} 0 0 0
88 {} 7.66270 0.03682 0.05260 ++ {0.0} {} {28.HD2} 3.11438 0.12607 0.26354 ++ {0.0} {} {} 117.87980 0.79217 1.48234 ++ {0.0} {} 0.0 0.3330 0 {} 0 0 0
89 {} 7.63163 0.04748 0.07683 ++ {0.0} {} {27.HD2} 3.16989 0.13764 0.28646 ++ {0.0} {} {} 117.81145 0.79927 1.48474 ++ {0.0} {} 0.0 0.3523 0 {} 0 0 0
90 {} 8.51707 0.03445 0.02924 ++ {0.0} {} {15.HB3} 2.42598 0.11551 0.09735 ++ {0.0} {} {} 117.83824 0.84954 0.71597 ++ {0.0} {} 0.0 0.0888 0 {} 0 0 0
91 {} 8.51800 0.03430 0.05848 ++ {0.0} {} {15.HG2} 2.02825 0.16678 0.30425 ++ {0.0} {} {} 117.82520 0.84421 1.57346 ++ {0.0} {} 0.0 0.2707 0 {} 0 0 0
92 {} 7.62956 0.04942 0.06019 ++ {0.0} {} {27.HB2} 1.90964 0.06483 0.18213 ++ {0.0} {} {} 117.81004 0.82535 1.07018 ++ {0.0} {} 0.0 0.1422 0 {} 0 0 0
93 {} 7.66418 0.05130 0.07224 ++ {0.0} {} {28.HG2} 1.70593 0.10718 0.30321 ++ {0.0} {} {} 117.88481 0.79893 1.18355 ++ {0.0} {} 0.0 0.1715 0 {} 0 0 0
94 {} 8.16871 0.03284 0.02210 ++ {0.0} {} {42.HA} 4.26544 0.16690 0.10907 ++ {0.0} {} {} 117.29073 0.69663 0.45484 ++ {0.0} {} 0.0 0.0763 0 {} 0 0 0
95 {} 8.40327 0.04010 0.07460 ++ {0.0} {} {25.HB2} 3.24084 0.11758 0.35958 ++ {0.0} {} {} 116.74892 0.58734 0.98840 ++ {0.0} {} 0.0 0.3241 0 {} 0 0 0
96 {} 8.21199 0.03947 0.04707 ++ {0.0} {} {52.HA} 4.25275 0.14116 0.17473 ++ {0.0} {} {} 115.46361 0.75777 0.93804 ++ {0.0} {} 0.0 0.1349 0 {} 0 0 0
97 {} 8.21393 0.03961 0.08969 ++ {0.0} {} {52.HD3} 3.23292 0.15856 0.30371 ++ {0.0} {} {} 115.45977 0.72506 1.61204 ++ {0.0} {} 0.0 0.5977 0 {} 0 0 0
98 {} 8.21315 0.04136 0.06436 ++ {0.0} {} {52.HB2} 1.91027 0.06543 0.26281 ++ {0.0} {} {} 115.46046 0.73237 1.30005 ++ {0.0} {} 0.0 0.2518 0 {} 0 0 0
99 {} 7.72998 0.02673 0.02765 ++ {0.0} {} {} 2.71259 0.24481 0.25109 ++ {0.0} {} {} 113.32468 0.85736 0.89244 ++ {0.0} {} 0.0 0.1072 0 {} 0 0 0
100 {} 6.96022 0.02857 0.02372 ++ {0.0} {} {} 2.71488 0.24274 0.21566 ++ {0.0} {} {} 113.19512 1.06749 0.90243 ++ {0.0} {} 0.0 0.0874 0 {} 0 0 0
101 {} 7.57886 0.03976 0.05499 ++ {0.0} {} {} 4.33072 0.13316 0.16658 ++ {0.0} {} {} 112.10789 0.80264 1.00413 ++ {0.0} {} 0.0 0.1372 0 {} 0 0 0
102 {} 6.87077 0.03571 0.04779 ++ {0.0} {} {} 4.32593 0.12083 0.16546 ++ {0.0} {} {} 111.93159 0.89114 1.29028 ++ {0.0} {} 0.0 0.1630 0 {} 0 0 0
103 {} 7.55390 0.03839 0.03203 ++ {0.0} {} {} 4.02935 0.13901 0.11824 ++ {0.0} {} {} 111.94304 0.94912 0.80730 ++ {0.0} {} 0.0 0.0894 0 {} 0 0 0
104 {} 6.90356 0.03878 0.03433 ++ {0.0} {} {} 4.04175 0.12278 0.01800 ++ {0.0} {} {} 111.79298 1.08395 0.15858 ++ {0.0} {} 0.0 0.0555 0 {} 0 0 0
105 {} 7.56851 0.04822 0.06775 ++ {0.0} {} {} 2.41161 0.12968 0.18407 ++ {0.0} {} {} 111.98964 0.93081 1.44651 ++ {0.0} {} 0.0 0.1770 0 {} 0 0 0
106 {} 6.86976 0.04771 0.06799 ++ {0.0} {} {} 2.40356 0.13573 0.23290 ++ {0.0} {} {} 111.79484 1.20307 1.71642 ++ {0.0} {} 0.0 0.2229 0 {} 0 0 0
107 {} 7.47561 0.02523 0.01499 ++ {0.0} {} {} 2.29528 0.09858 0.10816 ++ {0.0} {} {} 111.68550 0.83445 0.40183 ++ {0.0} {} 0.0 0.0677 0 {} 0 0 0
108 {} 7.63332 0.03223 0.00148 ++ {0.0} {} {} 4.01820 0.14679 0.00443 ++ {0.0} {} {} 111.46844 0.88156 0.02658 ++ {0.0} {} 0.0 0.0522 0 {} 0 0 0
109 {} 8.56074 0.05436 0.05147 ++ {0.0} {} {2.HA} 4.34798 0.14485 0.13405 ++ {0.0} {} {} 110.77444 0.63110 0.58406 ++ {0.0} {} 0.0 0.0957 0 {} 0 0 0
110 {} 7.37579 0.02436 0.01187 ++ {0.0} {} {} 4.21344 0.13276 0.06278 ++ {0.0} {} {} 110.78036 0.79976 0.37819 ++ {0.0} {} 0.0 0.0673 0 {} 0 0 0
111 {} 8.56067 0.05583 0.11957 ++ {0.0} {} {2.HD2} 3.21680 0.12495 0.28445 ++ {0.0} {} {} 110.78674 0.64612 1.44447 ++ {0.0} {} 0.0 0.4980 0 {} 0 0 0
112 {} 8.56071 0.05450 0.08591 ++ {0.0} {} {2.HG2} 1.68252 0.12324 0.34231 ++ {0.0} {} {} 110.79358 0.65765 0.98682 ++ {0.0} {} 0.0 0.2058 0 {} 0 0 0
113 {} 8.42632 0.04821 0.05079 ++ {0.0} {} {31.HA} 4.40037 0.12268 0.12972 ++ {0.0} {} {} 109.46777 0.74130 0.78389 ++ {0.0} {} 0.0 0.1091 0 {} 0 0 0
114 {} 8.42602 0.05731 0.11728 ++ {0.0} {} {31.HG2} 2.29458 0.16628 0.29188 ++ {0.0} {} {} 109.46488 0.76543 1.48277 ++ {0.0} {} 0.0 0.3512 0 {} 0 0 0
115 {} 8.09459 0.07479 0.07203 ++ {0.0} {} {} 2.26613 0.12608 0.11994 ++ {0.0} {} {} 107.51926 0.60659 0.57707 ++ {0.0} {} 0.0 0.0980 0 {} 0 0 0
116 {10.H} 8.39682 0.03923 0.09872 ++ {0.0} {} {35.HA} 4.20225 0.15046 0.21494 ++ {0.0} {} {10.N} 121.01881 0.77484 1.73940 ++ {0.0} {} 0.0 1.1218 0 {} 0 0 0
117 {10.H} 8.33012 0.03232 0.07423 ++ {0.0} {} {1.HA} 4.26981 0.14587 0.30932 ++ {0.0} {} {10.N} 121.95757 0.77937 1.66958 ++ {0.0} {} 0.0 1.2575 0 {} 0 0 0
118 {10.H} 8.33445 0.03794 0.11559 ++ {0.0} {} {55.HG2} 2.28390 0.15418 0.31954 ++ {0.0} {} {10.N} 121.95288 0.76319 1.79859 ++ {0.0} {} 0.0 2.8192 0 {} 0 0 0
119 {10.H} 8.55953 0.05450 0.08603 ++ {0.0} {} {2.HB2} 1.88201 0.12324 0.34257 ++ {0.0} {} {10.N} 110.79358 0.65765 0.98805 ++ {0.0} {} 0.0 0.2058 0 {} 0 0 0
120 {10.H} 8.52637 0.04043 0.06740 ++ {0.0} {} {} 4.08169 0.13872 0.19817 ++ {0.0} {} {10.N} 120.61195 0.85235 1.39787 ++ {0.0} {} 0.0 0.2371 0 {} 0 0 0
121 {10.H} 8.48613 0.03775 0.06202 ++ {0.0} {} {12.HG2} 1.93322 0.07420 0.25674 ++ {0.0} {} {10.N} 120.60559 0.83167 1.38410 ++ {0.0} {} 0.0 0.2466 0 {} 0 0 0
122 {10.H} 8.52660 0.03775 0.06202 ++ {0.0} {} {} 2.61717 0.07420 0.25674 ++ {0.0} {} {10.N} 120.60559 0.83167 1.38410 ++ {0.0} {} 0.0 0.2466 0 {} 0 0 0
123 {} 8.39682 0.03923 0.13206 ++ {0.0} {} {} 4.20225 0.15046 0.21494 ++ {0.0} {} {} 121.01881 0.77484 1.86301 ++ {0.0} {} 0.0 1.1218 0 {} 0 0 0
124 {} 8.39682 0.03923 0.13206 ++ {0.0} {} {} 4.20225 0.15046 0.21494 ++ {0.0} {} {} 121.01881 0.77484 1.86301 ++ {0.0} {} 0.0 1.1218 0 {} 0 0 0
125 {} 8.39682 0.03923 0.13206 ++ {0.0} {} {} 4.20225 0.15046 0.21494 ++ {0.0} {} {} 121.01881 0.77484 1.86301 ++ {0.0} {} 0.0 1.1218 0 {} 0 0 0
126 {10.H} 8.39682 0.03923 0.13206 ++ {0.0} {} {} 4.20225 0.15046 0.21494 ++ {0.0} {} {10.N} 121.01881 0.77484 1.86301 ++ {0.0} {} 0.0 1.1218 0 {} 0 0 0
127 {10.H} 8.42127 0.04399 0.11929 ++ {0.0} {} {13.HB2} 1.74862 0.12486 0.29658 ++ {0.0} {} {10.N} 122.99609 0.73673 1.61473 ++ {0.0} {} 0.0 0.5871 0 {} 0 0 0
128 {10.H} 8.42034 0.04399 0.11929 ++ {0.0} {} {13.HD2} 3.17236 0.12486 0.29658 ++ {0.0} {} {10.N} 122.99609 0.73673 1.61473 ++ {0.0} {} 0.0 0.5871 0 {} 0 0 0
129 {10.H} 8.51820 0.03445 0.03712 ++ {0.0} {} {15.HB2} 2.08456 0.11551 0.12448 ++ {0.0} {} {10.N} 117.83824 0.84954 0.91560 ++ {0.0} {} 0.0 0.0888 0 {} 0 0 0
;
loop_
_Spectral_dim.ID
_Spectral_dim.Axis_code
_Spectral_dim.Spectrometer_frequency
_Spectral_dim.Atom_type
_Spectral_dim.Atom_isotope_number
_Spectral_dim.Spectral_region
_Spectral_dim.Magnetization_linkage_ID
_Spectral_dim.Under_sampling_type
_Spectral_dim.Sweep_width
_Spectral_dim.Sweep_width_units
_Spectral_dim.Value_first_point
_Spectral_dim.Absolute_peak_positions
_Spectral_dim.Acquisition
_Spectral_dim.Center_frequency_offset
_Spectral_dim.Encoding_code
_Spectral_dim.Encoded_reduced_dimension_ID
_Spectral_dim.Entry_ID
_Spectral_dim.Spectral_peak_list_ID
1 . . H 1 HN . . 2404.53930664 Hz . . . 4.78299999237 . . 30870 7
2 . . C 13 C-aliphatic . . 9649.31054687 Hz . . . 45.0750007629 . . 30870 7
3 . . N 15 N . . 1800 Hz . . . 120.15599823 . . 30870 7
stop_
save_